3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one

C25H19ClN4O3S — CID 133081151

IUPAC3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccccc1)n1nc(-c2cccn(Cc3ccoc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C25H19ClN4O3S/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-5-2-1-3-6-18)20-7-4-11-29(25(20)32)15-17-10-12-33-16-17/h1-13,16,27H,14-15H2
InChIKeyOQTPQPAWLBCRPA-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.37
Rot. Bonds7

About 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one

3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one (PubChem CID 133081151) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one
PubChem CID133081151
Molecular FormulaC25H19ClN4O3S
Molecular Weight490.97 g/mol
Exact Mass490.09
IUPAC Name3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccccc1)n1nc(-c2cccn(Cc3ccoc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C25H19ClN4O3S/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-5-2-1-3-6-18)20-7-4-11-29(25(20)32)15-17-10-12-33-16-17/h1-13,16,27H,14-15H2
InChIKeyOQTPQPAWLBCRPA-UHFFFAOYSA-N
XLogP5.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US9687479, 288 N-[(5-chlorothiophen-2-yl)methyl]-1-[(furan-3-yl)carbonyl]-3-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 133081358
[5-[(5-Chlorothiophen-2-yl)methylamino]-4-fluoro-3-(oxan-4-yl)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 86273872
US9687479, 284 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(oxan-4-yl)-1H-pyrazol-5-amine
CID 133081355
US9687479, 294 N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1-[(furan-3-yl)carbonyl]-3-(oxan-4-yl)-1H-pyrazol-5-amine
CID 86273629
US9687479, 277 1-[(2-aminophenyl)carbonyl]-N-[(5-chlorothiophen-2-yl)methyl]-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 133081350
US9687479, 262 tert-butyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166065
US9687479, 263 tert-butyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166066
US9687479, 58 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetonitrile
CID 124166071
US9687479, 57 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetonitrile
CID 124166073
US9687479, 259 ethyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166074
US9687479, 258 ethyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166078
US9687479, 4 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1,2-dihydropyridin-2-one
CID 133081097

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one (CID 133081151) is 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one is O=C(c1ccccc1)n1nc(-c2cccn(Cc3ccoc3)c2=O)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one?
The InChIKey is OQTPQPAWLBCRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-5-2-1-3-6-18)20-7-4-11-29(25(20)32)15-17-10-12-33-16-17/h1-13,16,27H,14-15H2.
What are the key properties of 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one?
3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one has a molecular weight of 490.97 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).